CID 67153403

Bph35pa5qj

Structural Information

Molecular Formula
C10H19N
SMILES
CC(C)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1N
InChI
InChI=1S/C10H19N/c1-6(2)9-7-3-4-8(5-7)10(9)11/h6-10H,3-5,11H2,1-2H3/t7-,8+,9+,10+/m1/s1
InChIKey
SHXVJSFOJHMEEQ-KATARQTJSA-N
Compound name
(1S,2S,3S,4R)-3-propan-2-ylbicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.15903 138.6
[M+Na]+ 176.14097 144.8
[M-H]- 152.14447 140.9
[M+NH4]+ 171.18557 164.6
[M+K]+ 192.11491 142.8
[M+H-H2O]+ 136.14901 134.4
[M+HCOO]- 198.14995 158.8
[M+CH3COO]- 212.16560 181.8
[M+Na-2H]- 174.12642 139.2
[M]+ 153.15120 135.0
[M]- 153.15230 135.0
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

patents stripe