CID 65391961

(1,4,4-trimethylcyclohexyl)methanamine

Structural Information

Molecular Formula
C10H21N
SMILES
CC1(CCC(CC1)(C)CN)C
InChI
InChI=1S/C10H21N/c1-9(2)4-6-10(3,8-11)7-5-9/h4-8,11H2,1-3H3
InChIKey
ZODLBQCWLXDQOX-UHFFFAOYSA-N
Compound name
(1,4,4-trimethylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 135.9
[M+Na]+ 178.15662 141.8
[M-H]- 154.16012 138.9
[M+NH4]+ 173.20122 160.6
[M+K]+ 194.13056 140.5
[M+H-H2O]+ 138.16466 132.0
[M+HCOO]- 200.16560 156.2
[M+CH3COO]- 214.18125 180.1
[M+Na-2H]- 176.14207 141.5
[M]+ 155.16685 131.2
[M]- 155.16795 131.2
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