CID 57245

97482-05-8

Structural Information

Molecular Formula
C5H7N3
SMILES
C1CC(=NC1)NC#N
InChI
InChI=1S/C5H7N3/c6-4-8-5-2-1-3-7-5/h1-3H2,(H,7,8)
InChIKey
ZWZXPQUCMIIDTF-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyrrol-5-ylcyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

109.063995 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 119.9
[M+Na]+ 132.05321 128.9
[M-H]- 108.05672 121.5
[M+NH4]+ 127.09782 140.3
[M+K]+ 148.02715 127.4
[M+H-H2O]+ 92.061255 106.7
[M+HCOO]- 154.06220 140.8
[M+CH3COO]- 168.07785 181.4
[M+Na-2H]- 130.03866 126.8
[M]+ 109.06345 112.4
[M]- 109.06454 112.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe