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
trans-(1S,3S)-3-N,3-N-dimethylcyclopentane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.13135 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 129.0
[M+Na]+ 151.120568 134.3
[M-H]- 127.124074 133.2
[M+NH4]+ 146.165173 152.7
[M+K]+ 167.094508 134.5
[M+H-H2O]+ 111.128610 123.1
[M+HCOO]- 173.129551 153.7
[M+CH3COO]- 187.145201 179.8
[M+Na-2H]- 149.106016 132.0
[M]+ 128.13080142 124.9
[M]- 128.13189858 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