CID 13437414

2-(benzylamino)-2-methylpropanenitrile

Structural Information

Molecular Formula
C11H14N2
SMILES
CC(C)(C#N)NCC1=CC=CC=C1
InChI
InChI=1S/C11H14N2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey
HBTDFZYBFUTDRP-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 143.5
[M+Na]+ 197.10491 154.6
[M+NH4]+ 192.14951 148.7
[M+K]+ 213.07885 144.9
[M-H]- 173.10841 138.8
[M+Na-2H]- 195.09036 148.1
[M]+ 174.11514 143.0
[M]- 174.11624 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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