CID 93644

57357-85-4

Structural Information

Molecular Formula
C11H21N
SMILES
C[C@@H]1[C@H](C[C@H]2C[C@@H]1C2(C)C)CN
InChI
InChI=1S/C11H21N/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h7-10H,4-6,12H2,1-3H3/t7-,8-,9+,10+/m1/s1
InChIKey
MUOITVAMHSVXLO-IMSYWVGJSA-N
Compound name
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

164
Patents

167.1674 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 152.7
[M+Na]+ 190.156618 158.1
[M-H]- 166.160124 151.7
[M+NH4]+ 185.201223 173.0
[M+K]+ 206.130558 158.6
[M+H-H2O]+ 150.164660 144.5
[M+HCOO]- 212.165601 165.7
[M+CH3COO]- 226.181251 192.8
[M+Na-2H]- 188.142066 159.7
[M]+ 167.16685142 162.1
[M]- 167.16794858 162.1
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.