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

237
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 129.4
[M+Na]+ 150.12532 139.4
[M+NH4]+ 145.16992 140.4
[M+K]+ 166.09926 131.0
[M-H]- 126.12882 132.4
[M+Na-2H]- 148.11077 136.5
[M]+ 127.13555 131.7
[M]- 127.13665 131.7
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