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

92
Patents

110.0844 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 121.8
[M+Na]+ 133.07362 131.2
[M-H]- 109.07712 122.6
[M+NH4]+ 128.11822 143.8
[M+K]+ 149.04756 128.2
[M+H-H2O]+ 93.081660 110.1
[M+HCOO]- 155.08260 139.2
[M+CH3COO]- 169.09825 178.0
[M+Na-2H]- 131.05907 127.8
[M]+ 110.08385 112.9
[M]- 110.08495 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