CID 80461767

1540792-38-8

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC1(CCC2=C(C1)C(=NO2)CN)C
InChI
InChI=1S/C10H16N2O/c1-10(2)4-3-9-7(5-10)8(6-11)12-13-9/h3-6,11H2,1-2H3
InChIKey
NFYZBRIHGUAAGV-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.133546 138.8
[M+Na]+ 203.115488 147.2
[M-H]- 179.118994 142.3
[M+NH4]+ 198.160093 161.0
[M+K]+ 219.089428 145.9
[M+H-H2O]+ 163.123530 133.2
[M+HCOO]- 225.124471 159.2
[M+CH3COO]- 239.140121 183.0
[M+Na-2H]- 201.100936 145.1
[M]+ 180.12572142 137.7
[M]- 180.12681858 137.7
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

No patent data available for this compound.