CID 11094768

5-(3-chloropropyl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C4H7ClN4
SMILES
C(CC1=NNN=N1)CCl
InChI
InChI=1S/C4H7ClN4/c5-3-1-2-4-6-8-9-7-4/h1-3H2,(H,6,7,8,9)
InChIKey
BEFJEPIMKQDCBC-UHFFFAOYSA-N
Compound name
5-(3-chloropropyl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

146.03592 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.043196 126.8
[M+Na]+ 169.025138 136.4
[M-H]- 145.028644 123.3
[M+NH4]+ 164.069743 144.5
[M+K]+ 184.999078 133.1
[M+H-H2O]+ 129.033180 118.6
[M+HCOO]- 191.034121 142.0
[M+CH3COO]- 205.049771 169.0
[M+Na-2H]- 167.010586 133.8
[M]+ 146.03537142 127.1
[M]- 146.03646858 127.1
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