CID 83694188

(1-methylcyclohex-3-en-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H15N
SMILES
CC1(CCC=CC1)CN
InChI
InChI=1S/C8H15N/c1-8(7-9)5-3-2-4-6-8/h2-3H,4-7,9H2,1H3
InChIKey
HHLKIECYQOAVCT-UHFFFAOYSA-N
Compound name
(1-methylcyclohex-3-en-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.127726 127.2
[M+Na]+ 148.109668 133.0
[M-H]- 124.113174 130.0
[M+NH4]+ 143.154273 150.8
[M+K]+ 164.083608 131.7
[M+H-H2O]+ 108.117710 122.4
[M+HCOO]- 170.118651 149.6
[M+CH3COO]- 184.134301 172.7
[M+Na-2H]- 146.095116 134.3
[M]+ 125.11990142 122.4
[M]- 125.12099858 122.4
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