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
2
Annotation Hits

0
References

123
Patents

167.1674 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 152.7
[M+Na]+ 190.15662 158.1
[M-H]- 166.16012 151.7
[M+NH4]+ 185.20122 173.0
[M+K]+ 206.13056 158.6
[M+H-H2O]+ 150.16466 144.5
[M+HCOO]- 212.16560 165.7
[M+CH3COO]- 226.18125 192.8
[M+Na-2H]- 188.14207 159.7
[M]+ 167.16685 162.1
[M]- 167.16795 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.