CID 83350

4-(dimethylamino)butan-1-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CN(C)CCCCO
InChI
InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey
QCTOLMMTYSGTDA-UHFFFAOYSA-N
Compound name
4-(dimethylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2602
Patents

117.115364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 126.6
[M+Na]+ 140.104582 132.7
[M-H]- 116.108088 126.9
[M+NH4]+ 135.149187 149.1
[M+K]+ 156.078522 133.4
[M+H-H2O]+ 100.112624 121.8
[M+HCOO]- 162.113565 150.7
[M+CH3COO]- 176.129215 174.8
[M+Na-2H]- 138.090030 132.6
[M]+ 117.11481542 127.9
[M]- 117.11591258 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe