CID 21894525

(1-methylcyclohexyl)methanamine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1(CCCCC1)CN
InChI
InChI=1S/C8H17N/c1-8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKey
GFTCKTJDXXDHLH-UHFFFAOYSA-N
Compound name
(1-methylcyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

127.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 129.2
[M+Na]+ 150.12532 134.0
[M-H]- 126.12882 131.7
[M+NH4]+ 145.16992 152.6
[M+K]+ 166.09926 132.9
[M+H-H2O]+ 110.13336 124.5
[M+HCOO]- 172.13430 150.2
[M+CH3COO]- 186.14995 173.1
[M+Na-2H]- 148.11077 135.3
[M]+ 127.13555 122.9
[M]- 127.13665 122.9
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