CID 492932

(2s,6s,7r)-2-isopropyl-5,6,7-trimethyl-bicyclo[3.2.1]octan-8-amine

Structural Information

Molecular Formula
C14H27N
SMILES
C[C@@H]1[C@@H](C2(CC[C@H](C1C2N)C(C)C)C)C
InChI
InChI=1S/C14H27N/c1-8(2)11-6-7-14(5)10(4)9(3)12(11)13(14)15/h8-13H,6-7,15H2,1-5H3/t9-,10+,11+,12?,13?,14?/m1/s1
InChIKey
JJVYWURLQXJITI-IQWQCGPNSA-N
Compound name
(4S,6R,7S)-1,6,7-trimethyl-4-propan-2-ylbicyclo[3.2.1]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.21436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.22164 152.9
[M+Na]+ 232.20358 159.4
[M-H]- 208.20708 155.2
[M+NH4]+ 227.24818 177.7
[M+K]+ 248.17752 156.4
[M+H-H2O]+ 192.21162 149.2
[M+HCOO]- 254.21256 169.6
[M+CH3COO]- 268.22821 195.7
[M+Na-2H]- 230.18903 152.8
[M]+ 209.21381 149.6
[M]- 209.21491 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.