CID 11194443

(-)-cis-myrtanylamine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CC1([C@H]2CC[C@H]([C@@H]1C2)CN)C

InChI

InChI=1S/C10H19N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9H,3-6,11H2,1-2H3/t7-,8-,9-/m0/s1

InChIKey

SYJBFPCQIJQYNV-CIUDSAMLSA-N

Compound name

[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 243
Patents: 153.15175 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.15903	147.2
[M+Na]+	176.14097	152.3
[M-H]-	152.14447	146.2
[M+NH4]+	171.18557	167.9
[M+K]+	192.11491	152.9
[M+H-H2O]+	136.14901	139.0
[M+HCOO]-	198.14995	160.7
[M+CH3COO]-	212.16560	188.8
[M+Na-2H]-	174.12642	155.5
[M]+	153.15120	156.1
[M]-	153.15230	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe