CID 131189906

3-cyclopropylpyrrolidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CC1C2(CCNC2)C#N
InChI
InChI=1S/C8H12N2/c9-5-8(7-1-2-7)3-4-10-6-8/h7,10H,1-4,6H2
InChIKey
OXFUSUGDCDKUFQ-UHFFFAOYSA-N
Compound name
3-cyclopropylpyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

136.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 126.9
[M+Na]+ 159.089268 141.4
[M-H]- 135.092774 132.7
[M+NH4]+ 154.133873 145.0
[M+K]+ 175.063208 134.6
[M+H-H2O]+ 119.097310 117.3
[M+HCOO]- 181.098251 145.5
[M+CH3COO]- 195.113901 140.2
[M+Na-2H]- 157.074716 134.0
[M]+ 136.09950142 121.8
[M]- 136.10059858 121.8
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