CID 61149611

1-(1h-1,2,3,4-tetrazol-5-yl)butan-1-amine

Structural Information

Molecular Formula
C5H11N5
SMILES
CCCC(C1=NNN=N1)N
InChI
InChI=1S/C5H11N5/c1-2-3-4(6)5-7-9-10-8-5/h4H,2-3,6H2,1H3,(H,7,8,9,10)
InChIKey
JNMFCCCHDAEJNL-UHFFFAOYSA-N
Compound name
1-(2H-tetrazol-5-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.10144 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.10872 130.4
[M+Na]+ 164.09066 138.0
[M-H]- 140.09416 127.0
[M+NH4]+ 159.13526 147.0
[M+K]+ 180.06460 136.1
[M+H-H2O]+ 124.09870 121.8
[M+HCOO]- 186.09964 149.7
[M+CH3COO]- 200.11529 173.1
[M+Na-2H]- 162.07611 135.9
[M]+ 141.10089 127.4
[M]- 141.10199 127.4
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