CID 155820829

2-(3,4-dihydroquinazolin-4-yl)acetonitrile

Structural Information

Molecular Formula
C10H9N3
SMILES
C1=CC=C2C(=C1)C(N=CN2)CC#N
InChI
InChI=1S/C10H9N3/c11-6-5-10-8-3-1-2-4-9(8)12-7-13-10/h1-4,7,10H,5H2,(H,12,13)
InChIKey
ZCMIDMAOHOTZJP-UHFFFAOYSA-N
Compound name
2-(1,4-dihydroquinazolin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.07965 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 135.9
[M+Na]+ 194.068868 145.8
[M-H]- 170.072374 135.2
[M+NH4]+ 189.113473 151.8
[M+K]+ 210.042808 140.1
[M+H-H2O]+ 154.076910 122.0
[M+HCOO]- 216.077851 151.1
[M+CH3COO]- 230.093501 146.5
[M+Na-2H]- 192.054316 143.9
[M]+ 171.07910142 128.0
[M]- 171.08019858 128.0
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

No patent data available for this compound.