CID 55285339

Rac-2-[(1r,3s)-3-aminocyclopentyl]acetonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2
SMILES
C1C[C@@H](C[C@@H]1CC#N)N
InChI
InChI=1S/C7H12N2/c8-4-3-6-1-2-7(9)5-6/h6-7H,1-3,5,9H2/t6-,7-/m0/s1
InChIKey
MXDKDPXBTLQXNF-BQBZGAKWSA-N
Compound name
2-[(1R,3S)-3-aminocyclopentyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

124.10005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 127.1
[M+Na]+ 147.08927 135.6
[M-H]- 123.09277 129.7
[M+NH4]+ 142.13387 148.2
[M+K]+ 163.06321 133.1
[M+H-H2O]+ 107.09731 115.2
[M+HCOO]- 169.09825 146.9
[M+CH3COO]- 183.11390 185.8
[M+Na-2H]- 145.07472 130.7
[M]+ 124.09950 118.2
[M]- 124.10060 118.2
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