CID 21361457

(3,3-dimethylcyclopentyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1(CCC(C1)CN)C

InChI

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

InChIKey

CNGKJQOCQZBXEQ-UHFFFAOYSA-N

Compound name

(3,3-dimethylcyclopentyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	128.14338	128.5
[M+Na]+	150.12532	135.1
[M-H]-	126.12882	131.5
[M+NH4]+	145.16992	154.0
[M+K]+	166.09926	133.9
[M+H-H2O]+	110.13336	124.2
[M+HCOO]-	172.13430	151.5
[M+CH3COO]-	186.14995	174.0
[M+Na-2H]-	148.11077	132.7
[M]+	127.13555	124.6
[M]-	127.13665	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe