CID 20662413

Schembl18435034

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(C)(CCNC)CO
InChI
InChI=1S/C7H17NO/c1-7(2,6-9)4-5-8-3/h8-9H,4-6H2,1-3H3
InChIKey
DEJARBPGPZTGTE-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(methylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

131.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.13829 131.3
[M+Na]+ 154.12023 137.3
[M-H]- 130.12373 130.2
[M+NH4]+ 149.16483 152.7
[M+K]+ 170.09417 136.7
[M+H-H2O]+ 114.12827 127.2
[M+HCOO]- 176.12921 153.0
[M+CH3COO]- 190.14486 174.6
[M+Na-2H]- 152.10568 138.1
[M]+ 131.13046 131.2
[M]- 131.13156 131.2
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

patents stripe