CID 80461767

(5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine

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]+ 181.13355 138.8
[M+Na]+ 203.11549 147.2
[M-H]- 179.11899 142.3
[M+NH4]+ 198.16009 161.0
[M+K]+ 219.08943 145.9
[M+H-H2O]+ 163.12353 133.2
[M+HCOO]- 225.12447 159.2
[M+CH3COO]- 239.14012 183.0
[M+Na-2H]- 201.10094 145.1
[M]+ 180.12572 137.7
[M]- 180.12682 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.