CID 55290920

(1,3-dimethylcyclopentyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCC(C1)(C)CN

InChI

InChI=1S/C8H17N/c1-7-3-4-8(2,5-7)6-9/h7H,3-6,9H2,1-2H3

InChIKey

YZCFBICYFBSXMM-UHFFFAOYSA-N

Compound name

(1,3-dimethylcyclopentyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 127.1361 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.143376	128.5
[M+Na]+	150.125318	135.1
[M-H]-	126.128824	131.5
[M+NH4]+	145.169923	154.0
[M+K]+	166.099258	133.9
[M+H-H2O]+	110.133360	124.2
[M+HCOO]-	172.134301	151.5
[M+CH3COO]-	186.149951	174.0
[M+Na-2H]-	148.110766	132.7
[M]+	127.13555142	124.6
[M]-	127.13664858	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe