CID 59448313

(3s,4r)-4-phenylpyrrolidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
C1[C@H]([C@@H](CN1)C2=CC=CC=C2)C#N
InChI
InChI=1S/C11H12N2/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9/h1-5,10-11,13H,7-8H2/t10-,11+/m1/s1
InChIKey
KYANGXZFVUFMHU-MNOVXSKESA-N
Compound name
(3S,4R)-4-phenylpyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.10005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 141.8
[M+Na]+ 195.08927 153.3
[M+NH4]+ 190.13387 147.3
[M+K]+ 211.06321 144.7
[M-H]- 171.09277 137.5
[M+Na-2H]- 193.07472 146.2
[M]+ 172.09950 141.3
[M]- 172.10060 141.3
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