CID 20118611

4-((isopropylamino)methyl)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

174.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 141.4
[M+Na]+ 197.104908 149.9
[M-H]- 173.108414 144.5
[M+NH4]+ 192.149513 159.4
[M+K]+ 213.078848 146.9
[M+H-H2O]+ 157.112950 128.9
[M+HCOO]- 219.113891 161.6
[M+CH3COO]- 233.129541 197.3
[M+Na-2H]- 195.090356 146.3
[M]+ 174.11514142 135.9
[M]- 174.11623858 135.9
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