CID 55285339

2098033-24-8

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

11
Patents

124.10005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 127.1
[M+Na]+ 147.089268 135.6
[M-H]- 123.092774 129.7
[M+NH4]+ 142.133873 148.2
[M+K]+ 163.063208 133.1
[M+H-H2O]+ 107.097310 115.2
[M+HCOO]- 169.098251 146.9
[M+CH3COO]- 183.113901 185.8
[M+Na-2H]- 145.074716 130.7
[M]+ 124.09950142 118.2
[M]- 124.10059858 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