CID 16244435

3-amino-3,4-dihydro-2h-1-benzopyran-6-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1C(COC2=C1C=C(C=C2)C#N)N
InChI
InChI=1S/C10H10N2O/c11-5-7-1-2-10-8(3-7)4-9(12)6-13-10/h1-3,9H,4,6,12H2
InChIKey
VPQCOUPCKJVUEB-UHFFFAOYSA-N
Compound name
3-amino-3,4-dihydro-2H-chromene-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 137.1
[M+Na]+ 197.068538 147.2
[M-H]- 173.072044 141.0
[M+NH4]+ 192.113143 154.8
[M+K]+ 213.042478 143.5
[M+H-H2O]+ 157.076580 124.9
[M+HCOO]- 219.077521 154.7
[M+CH3COO]- 233.093171 149.0
[M+Na-2H]- 195.053986 144.2
[M]+ 174.07877142 129.6
[M]- 174.07986858 129.6
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