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]+ 182.117556 138.0
[M+Na]+ 204.099498 146.8
[M-H]- 180.103004 140.7
[M+NH4]+ 199.144103 160.0
[M+K]+ 220.073438 145.6
[M+H-H2O]+ 164.107540 133.0
[M+HCOO]- 226.108481 156.8
[M+CH3COO]- 240.124131 178.2
[M+Na-2H]- 202.084946 144.5
[M]+ 181.10973142 138.2
[M]- 181.11082858 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.