CID 85889

15647-11-7

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC1(CC(CC(C1)(C)CN)O)C

InChI

InChI=1S/C10H21NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8,12H,4-7,11H2,1-3H3

InChIKey

YFEAYNIMJBHJCM-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 868
Patents: 171.16231 Da
Monoisotopic Mass: 1.4
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]+	172.16959	139.1
[M+Na]+	194.15153	145.5
[M-H]-	170.15503	140.9
[M+NH4]+	189.19613	162.7
[M+K]+	210.12547	143.8
[M+H-H2O]+	154.15957	135.7
[M+HCOO]-	216.16051	158.0
[M+CH3COO]-	230.17616	180.7
[M+Na-2H]-	192.13698	143.6
[M]+	171.16176	134.4
[M]-	171.16286	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe