CID 131450211

2-(1-aminocyclopropyl)acetonitrile

Structural Information

Molecular Formula
C5H8N2
SMILES
C1CC1(CC#N)N
InChI
InChI=1S/C5H8N2/c6-4-3-5(7)1-2-5/h1-3,7H2
InChIKey
OKDXCVGIVIHVFH-UHFFFAOYSA-N
Compound name
2-(1-aminocyclopropyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

96.06875 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 115.7
[M+Na]+ 119.05797 131.1
[M-H]- 95.061474 122.2
[M+NH4]+ 114.10257 135.5
[M+K]+ 135.03191 126.7
[M+H-H2O]+ 79.066010 107.9
[M+HCOO]- 141.06695 138.6
[M+CH3COO]- 155.08260 184.4
[M+Na-2H]- 117.04342 125.7
[M]+ 96.068201 113.6
[M]- 96.069299 113.6
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