CID 71755797

1-(2-methylpropyl)pyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
CC(C)CN1CCC(C1)C#N
InChI
InChI=1S/C9H16N2/c1-8(2)6-11-4-3-9(5-10)7-11/h8-9H,3-4,6-7H2,1-2H3
InChIKey
YXKJVSMPXUNZLK-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)pyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 133.1
[M+Na]+ 175.12057 141.2
[M-H]- 151.12407 134.5
[M+NH4]+ 170.16517 152.5
[M+K]+ 191.09451 139.1
[M+H-H2O]+ 135.12861 120.1
[M+HCOO]- 197.12955 149.9
[M+CH3COO]- 211.14520 190.7
[M+Na-2H]- 173.10602 135.4
[M]+ 152.13080 126.2
[M]- 152.13190 126.2
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