CID 45078822

167610-31-3

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN(C)[C@H]1CC[C@@H](C1)N

InChI

InChI=1S/C7H16N2/c1-9(2)7-4-3-6(8)5-7/h6-7H,3-5,8H2,1-2H3/t6-,7-/m0/s1

InChIKey

JKGFHDQYKCAVBW-BQBZGAKWSA-N

Compound name

(1S,3S)-3-N,3-N-dimethylcyclopentane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 128.13135 Da
Monoisotopic Mass: 0.3
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]+	129.13863	128.8
[M+Na]+	151.12057	137.0
[M+NH4]+	146.16517	138.0
[M+K]+	167.09451	133.7
[M-H]-	127.12407	131.7
[M+Na-2H]-	149.10602	133.3
[M]+	128.13080	130.4
[M]-	128.13190	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe