CID 194013

273400-20-7

Structural Information

Molecular Formula
C4H9N5
SMILES
C(CC1=NNN=N1)CN
InChI
InChI=1S/C4H9N5/c5-3-1-2-4-6-8-9-7-4/h1-3,5H2,(H,6,7,8,9)
InChIKey
GKWCKCHEKRDLOB-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

101
Patents

127.08579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 125.2
[M+Na]+ 150.07501 133.5
[M-H]- 126.07851 121.7
[M+NH4]+ 145.11961 142.4
[M+K]+ 166.04895 131.4
[M+H-H2O]+ 110.08305 116.7
[M+HCOO]- 172.08399 145.7
[M+CH3COO]- 186.09964 169.2
[M+Na-2H]- 148.06046 132.4
[M]+ 127.08524 122.4
[M]- 127.08634 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe