CID 1515497

(r)-1-benzyl-3-pyrrolidinecarbonitrile

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CN(C[C@@H]1C#N)CC2=CC=CC=C2
InChI
InChI=1S/C12H14N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2/t12-/m0/s1
InChIKey
RYCQUUNQHVAFSM-LBPRGKRZSA-N
Compound name
(3R)-1-benzylpyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

186.11569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 141.7
[M+Na]+ 209.10491 150.6
[M-H]- 185.10841 145.4
[M+NH4]+ 204.14951 159.5
[M+K]+ 225.07885 145.5
[M+H-H2O]+ 169.11295 127.6
[M+HCOO]- 231.11389 159.8
[M+CH3COO]- 245.12954 152.9
[M+Na-2H]- 207.09036 145.4
[M]+ 186.11514 134.0
[M]- 186.11624 134.0
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