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]+ 172.08693 135.9
[M+Na]+ 194.06887 145.8
[M-H]- 170.07237 135.2
[M+NH4]+ 189.11347 151.8
[M+K]+ 210.04281 140.1
[M+H-H2O]+ 154.07691 122.0
[M+HCOO]- 216.07785 151.1
[M+CH3COO]- 230.09350 146.5
[M+Na-2H]- 192.05432 143.9
[M]+ 171.07910 128.0
[M]- 171.08020 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.