CID 94349280

1020746-19-3

Structural Information

Molecular Formula
C4H9N5
SMILES
C[C@@H](CC1=NNN=N1)N
InChI
InChI=1S/C4H9N5/c1-3(5)2-4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)/t3-/m0/s1
InChIKey
AQORIANGFJTCON-VKHMYHEASA-N
Compound name
(2S)-1-(2H-tetrazol-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.08579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 126.0
[M+Na]+ 150.07501 134.1
[M-H]- 126.07851 122.7
[M+NH4]+ 145.11961 143.2
[M+K]+ 166.04895 132.5
[M+H-H2O]+ 110.08305 117.6
[M+HCOO]- 172.08399 145.6
[M+CH3COO]- 186.09964 170.1
[M+Na-2H]- 148.06046 132.0
[M]+ 127.08524 122.7
[M]- 127.08634 122.7
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