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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 129.0
[M+Na]+ 151.12057 134.3
[M-H]- 127.12407 133.2
[M+NH4]+ 146.16517 152.7
[M+K]+ 167.09451 134.5
[M+H-H2O]+ 111.12861 123.1
[M+HCOO]- 173.12955 153.7
[M+CH3COO]- 187.14520 179.8
[M+Na-2H]- 149.10602 132.0
[M]+ 128.13080 124.9
[M]- 128.13190 124.9
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