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

8
Patents

225.15897 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.16625 153.7
[M+Na]+ 248.14819 161.0
[M-H]- 224.15169 153.3
[M+NH4]+ 243.19279 168.8
[M+K]+ 264.12213 160.3
[M+H-H2O]+ 208.15623 144.1
[M+HCOO]- 270.15717 174.4
[M+CH3COO]- 284.17282 196.2
[M+Na-2H]- 246.13364 156.7
[M]+ 225.15842 157.7
[M]- 225.15952 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