CID 80462604

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

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1(CCC2=C(C1)C(=NO2)CO)C
InChI
InChI=1S/C10H15NO2/c1-10(2)4-3-9-7(5-10)8(6-12)11-13-9/h12H,3-6H2,1-2H3
InChIKey
BZMXCPHMFCXYGJ-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 138.0
[M+Na]+ 204.09950 146.8
[M-H]- 180.10300 140.7
[M+NH4]+ 199.14410 160.0
[M+K]+ 220.07344 145.6
[M+H-H2O]+ 164.10754 133.0
[M+HCOO]- 226.10848 156.8
[M+CH3COO]- 240.12413 178.2
[M+Na-2H]- 202.08495 144.5
[M]+ 181.10973 138.2
[M]- 181.11083 138.2
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.