CID 15495971

(1-methoxycyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
COC1(CCCCC1)CN
InChI
InChI=1S/C8H17NO/c1-10-8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKey
PRFIMCYSQHWPNP-UHFFFAOYSA-N
Compound name
(1-methoxycyclohexyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 132.4
[M+Na]+ 166.12023 137.1
[M-H]- 142.12373 134.8
[M+NH4]+ 161.16483 155.1
[M+K]+ 182.09417 136.5
[M+H-H2O]+ 126.12827 127.4
[M+HCOO]- 188.12921 153.5
[M+CH3COO]- 202.14486 175.1
[M+Na-2H]- 164.10568 138.4
[M]+ 143.13046 127.6
[M]- 143.13156 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