CID 55281686

(4-methoxycyclohexyl)methanamine

Structural Information

Molecular Formula
C8H17NO
SMILES
COC1CCC(CC1)CN
InChI
InChI=1S/C8H17NO/c1-10-8-4-2-7(6-9)3-5-8/h7-8H,2-6,9H2,1H3
InChIKey
VBAPKBJGWWZEDK-UHFFFAOYSA-N
Compound name
(4-methoxycyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 132.3
[M+Na]+ 166.120228 137.1
[M-H]- 142.123734 134.7
[M+NH4]+ 161.164833 153.3
[M+K]+ 182.094168 136.2
[M+H-H2O]+ 126.128270 126.7
[M+HCOO]- 188.129211 153.4
[M+CH3COO]- 202.144861 176.7
[M+Na-2H]- 164.105676 136.5
[M]+ 143.13046142 127.6
[M]- 143.13155858 127.6
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