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

69
Patents

146.03592 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04320 126.8
[M+Na]+ 169.02514 136.4
[M-H]- 145.02864 123.3
[M+NH4]+ 164.06974 144.5
[M+K]+ 184.99908 133.1
[M+H-H2O]+ 129.03318 118.6
[M+HCOO]- 191.03412 142.0
[M+CH3COO]- 205.04977 169.0
[M+Na-2H]- 167.01059 133.8
[M]+ 146.03537 127.1
[M]- 146.03647 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