CID 220622

1-propyl-1h-tetrazol-5-amine

Structural Information

Molecular Formula
C4H9N5
SMILES
CCCN1C(=NN=N1)N
InChI
InChI=1S/C4H9N5/c1-2-3-9-4(5)6-7-8-9/h2-3H2,1H3,(H2,5,6,8)
InChIKey
RUCUYFVAKOESSN-UHFFFAOYSA-N
Compound name
1-propyltetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

127.08579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 125.1
[M+Na]+ 150.07501 134.8
[M-H]- 126.07851 123.4
[M+NH4]+ 145.11961 143.4
[M+K]+ 166.04895 133.6
[M+H-H2O]+ 110.08305 116.7
[M+HCOO]- 172.08399 147.1
[M+CH3COO]- 186.09964 172.9
[M+Na-2H]- 148.06046 132.0
[M]+ 127.08524 124.6
[M]- 127.08634 124.6
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