CID 57516602

3-methylpyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C6H10N2
SMILES
CC1(CCNC1)C#N
InChI
InChI=1S/C6H10N2/c1-6(4-7)2-3-8-5-6/h8H,2-3,5H2,1H3
InChIKey
FVPYQTSLDMVWBM-UHFFFAOYSA-N
Compound name
3-methylpyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

110.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 121.8
[M+Na]+ 133.073618 131.2
[M-H]- 109.077124 122.6
[M+NH4]+ 128.118223 143.8
[M+K]+ 149.047558 128.2
[M+H-H2O]+ 93.081660 110.1
[M+HCOO]- 155.082601 139.2
[M+CH3COO]- 169.098251 178.0
[M+Na-2H]- 131.059066 127.8
[M]+ 110.08385142 112.9
[M]- 110.08494858 112.9
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