CID 21843637

2193061-30-0

Structural Information

Molecular Formula
C4H9N5
SMILES
C1=NN=NN1CCCN
InChI
InChI=1S/C4H9N5/c5-2-1-3-9-4-6-7-8-9/h4H,1-3,5H2
InChIKey
UGYXACYDHGNSFL-UHFFFAOYSA-N
Compound name
3-(tetrazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

127.08579 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 124.5
[M+Na]+ 150.07501 133.2
[M-H]- 126.07851 122.3
[M+NH4]+ 145.11961 142.4
[M+K]+ 166.04895 132.0
[M+H-H2O]+ 110.08305 115.7
[M+HCOO]- 172.08399 146.5
[M+CH3COO]- 186.09964 171.8
[M+Na-2H]- 148.06046 132.2
[M]+ 127.08524 123.6
[M]- 127.08634 123.6
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