CID 165713016

5-(isocyanomethyl)-2-methyl-2h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C4H5N5
SMILES
CN1N=C(N=N1)C[N+]#[C-]
InChI
InChI=1S/C4H5N5/c1-5-3-4-6-8-9(2)7-4/h3H2,2H3
InChIKey
HDPNTNSQZYFCBR-UHFFFAOYSA-N
Compound name
5-(isocyanomethyl)-2-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.0545 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.06178 120.9
[M+Na]+ 146.04372 131.1
[M-H]- 122.04722 117.3
[M+NH4]+ 141.08832 136.3
[M+K]+ 162.01766 125.7
[M+H-H2O]+ 106.05176 109.7
[M+HCOO]- 168.05270 137.5
[M+CH3COO]- 182.06835 175.0
[M+Na-2H]- 144.02917 129.3
[M]+ 123.05395 112.7
[M]- 123.05505 112.7
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.