CID 93635

N-(1h-tetrazol-5-yl)phthalimide

Structural Information

Molecular Formula
C9H5N5O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NNN=N3
InChI
InChI=1S/C9H5N5O2/c15-7-5-3-1-2-4-6(5)8(16)14(7)9-10-12-13-11-9/h1-4H,(H,10,11,12,13)
InChIKey
VZAWSUSSSSJKNW-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.04433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.051606 145.1
[M+Na]+ 238.033548 156.8
[M-H]- 214.037054 146.3
[M+NH4]+ 233.078153 160.7
[M+K]+ 254.007488 152.4
[M+H-H2O]+ 198.041590 136.1
[M+HCOO]- 260.042531 163.6
[M+CH3COO]- 274.058181 157.4
[M+Na-2H]- 236.018996 148.8
[M]+ 215.04378142 144.8
[M]- 215.04487858 144.8
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