CID 66607804

3-(2-aminopropan-2-yl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C10H12N2
SMILES
CC(C)(C1=CC=CC(=C1)C#N)N
InChI
InChI=1S/C10H12N2/c1-10(2,12)9-5-3-4-8(6-9)7-11/h3-6H,12H2,1-2H3
InChIKey
JRTLISHRHVGYSU-UHFFFAOYSA-N
Compound name
3-(2-aminopropan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

160.10005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 140.4
[M+Na]+ 183.089268 149.9
[M-H]- 159.092774 143.5
[M+NH4]+ 178.133873 158.9
[M+K]+ 199.063208 146.9
[M+H-H2O]+ 143.097310 128.6
[M+HCOO]- 205.098251 159.8
[M+CH3COO]- 219.113901 193.5
[M+Na-2H]- 181.074716 146.2
[M]+ 160.09950142 133.8
[M]- 160.10059858 133.8
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