CID 3061971

N,n-diethyl-5-methyl-1h-tetrazole-1-butanamide

Structural Information

Molecular Formula
C10H19N5O
SMILES
CCN(CC)C(=O)CCCN1C(=NN=N1)C
InChI
InChI=1S/C10H19N5O/c1-4-14(5-2)10(16)7-6-8-15-9(3)11-12-13-15/h4-8H2,1-3H3
InChIKey
NSFRQXZPDHOYJW-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(5-methyltetrazol-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

225.15897 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.166246 153.7
[M+Na]+ 248.148188 161.0
[M-H]- 224.151694 153.3
[M+NH4]+ 243.192793 168.8
[M+K]+ 264.122128 160.3
[M+H-H2O]+ 208.156230 144.1
[M+HCOO]- 270.157171 174.4
[M+CH3COO]- 284.172821 196.2
[M+Na-2H]- 246.133636 156.7
[M]+ 225.15842142 157.7
[M]- 225.15951858 157.7
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