CID 43138763

5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H19N3O
SMILES
CC(CC1=NN=C(O1)N)CC(C)(C)C
InChI
InChI=1S/C10H19N3O/c1-7(6-10(2,3)4)5-8-12-13-9(11)14-8/h7H,5-6H2,1-4H3,(H2,11,13)
InChIKey
BSZZYLXEFCXXSZ-UHFFFAOYSA-N
Compound name
5-(2,4,4-trimethylpentyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.15282 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.160096 148.2
[M+Na]+ 220.142038 155.5
[M-H]- 196.145544 149.5
[M+NH4]+ 215.186643 165.3
[M+K]+ 236.115978 155.2
[M+H-H2O]+ 180.150080 141.3
[M+HCOO]- 242.151021 167.7
[M+CH3COO]- 256.166671 187.6
[M+Na-2H]- 218.127486 152.4
[M]+ 197.15227142 149.6
[M]- 197.15336858 149.6
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

No patent data available for this compound.