CID 28063751

1041527-07-4

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC(C)C1=NOC(=N1)CNC
InChI
InChI=1S/C7H13N3O/c1-5(2)7-9-6(4-8-3)11-10-7/h5,8H,4H2,1-3H3
InChIKey
FGZOBIVRWFUHKE-UHFFFAOYSA-N
Compound name
N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.113146 133.7
[M+Na]+ 178.095088 141.7
[M-H]- 154.098594 135.5
[M+NH4]+ 173.139693 152.4
[M+K]+ 194.069028 142.1
[M+H-H2O]+ 138.103130 126.5
[M+HCOO]- 200.104071 156.3
[M+CH3COO]- 214.119721 179.5
[M+Na-2H]- 176.080536 139.7
[M]+ 155.10532142 135.6
[M]- 155.10641858 135.6
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

patents stripe